! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -4.4277978828  -2.2349772819   1.1812167424
Cl  -1.3508310605   1.4449773770   0.6983041744
O    2.8535982581   1.6642555698   0.5440279791
N    1.3340310693   0.3347406494  -0.4869561355
N   -1.1974975904   3.8826899646  -0.1278897463
C    1.3761242260  -2.0725166192  -0.2945383042
C    2.0616666511  -0.8713906906  -0.5076626626
C   -0.0634759182  -2.0897348057   0.0587893526
C    2.0671373947  -3.2750007226  -0.4147520962
C    3.4217143230  -0.8918644476  -0.8090972462
C   -1.0163469512  -2.5280185221  -0.8566549480
C   -0.4835252890  -1.6959772371   1.3266125180
C    3.4215672983  -3.2956746665  -0.7048260954
C    4.0960501064  -2.0986909524  -0.8959797650
C    1.7715121507   1.5122560670   0.0076888967
C    0.8830606393   2.7021719393  -0.2068172206
C   -2.3612620078  -2.5726290503  -0.5204837504
C   -1.8222064471  -1.7441085168   1.6810923228
C   -2.7513219709  -2.1791810860   0.7492360030
C    1.5035974876   3.8649941184  -0.6555176163
C   -0.4832371785   2.7994531728   0.0502416016
C    0.7613512621   5.0126206828  -0.8639721555
C   -0.5934484192   4.9708563576  -0.5878005727
H    1.5348537945  -4.2045338164  -0.2559793392
H    3.9548461246   0.0269858986  -1.0028050630
H    0.4001072012   0.2962870381  -0.8681745239
H   -0.7112432872  -2.8355987573  -1.8489530134
H    0.2408554294  -1.3522425261   2.0539206243
H    3.9451432927  -4.2393060786  -0.7821110431
H    5.1523581847  -2.0993378504  -1.1308854047
H   -3.0910727054  -2.9114648659  -1.2433495115
H   -2.1327001202  -1.4414846900   2.6720168180
H    2.5674085795   3.8622635586  -0.8526438846
H    1.2230021102   5.9202712409  -1.2251844476
H   -1.2195445046   5.8423352455  -0.7334144238
*